N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide

C20H27N3O3 — CID 56743559

IUPACN-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CN2CCC(NC(C)=O)CC2)c(C)o1
InChIInChI=1S/C20H27N3O3/c1-4-25-19-8-6-5-7-17(19)20-22-18(14(2)26-20)13-23-11-9-16(10-12-23)21-15(3)24/h5-8,16H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyRVEZTVCJFIOSGT-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.15
Rot. Bonds6

About N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 56743559) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID56743559
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CN2CCC(NC(C)=O)CC2)c(C)o1
InChIInChI=1S/C20H27N3O3/c1-4-25-19-8-6-5-7-17(19)20-22-18(14(2)26-20)13-23-11-9-16(10-12-23)21-15(3)24/h5-8,16H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyRVEZTVCJFIOSGT-UHFFFAOYSA-N
XLogP3.15
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
N-cyclopentyl-4-methoxy-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 154571106
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
(S)-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25482206
ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
CID 56743702
2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 95204232
[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-pyridin-3-ylmethanone
CID 45243561
N-(2,2-diethoxyethyl)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 46255206
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 56743211
4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053476
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide (CID 56743559) is N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide is CCOc1ccccc1-c1nc(CN2CCC(NC(C)=O)CC2)c(C)o1.
What is the InChIKey of N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is RVEZTVCJFIOSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-25-19-8-6-5-7-17(19)20-22-18(14(2)26-20)13-23-11-9-16(10-12-23)21-15(3)24/h5-8,16H,4,9-13H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56743559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).